2-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxidanylidene-4-phenethyl-azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxidanylidene-4-phenethyl-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenethyl-azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenethyl-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenethylazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[1-(2,4-dimethoxybenzyl)-2-keto-4-phenethyl-azetidin-3-yl]isoindoline-1,3-quinone Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)CCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)CCC5=CC=CC=C5)OC

InChI

InChI=1S/C28H26N2O5/c1-34-20-14-13-19(24(16-20)35-2)17-29-23(15-12-18-8-4-3-5-9-18)25(28(29)33)30-26(31)21-10-6-7-11-22(21)27(30)32/h3-11,13-14,16,23,25H,12,15,17H2,1-2H3